[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenequinoxalin-1-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenequinoxalin-1-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(2-oxoquinoxalin-1-yl)acetate CAS Name: 2-(2-oxo-1-quinoxalinyl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-oxoquinoxalin-1-yl)acetate Traditional Name: 2-(2-ketoquinoxalin-1-yl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C3=CC=CC=C3N=CC2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C3=CC=CC=C3N=CC2=O)C

InChI

InChI=1S/C23H22N4O4/c1-16-10-17(2)12-18(11-16)26(9-5-8-24)22(29)15-31-23(30)14-27-20-7-4-3-6-19(20)25-13-21(27)28/h3-4,6-7,10-13H,5,9,14-15H2,1-2H3